Detail information of CoNiH12C4(N2O3)2

Structure

Basic information

Pretty formulaCoNiH12C4(N2O3)2
Full formulaCo4Ni4H48C16N16O24
TagsDiaquacobalt tetracyanoniccolate tetrahydrate
Constituent elementsC; Co; H; N; Ni; O;
Number of elements6
Number of sites112
Volume1,348.97246 Å3
Density1.62383 g/cm3
Source Materials Project

Space group

Spacegroup Number62
Hermann MauguinPnma
Hall-P 2ac 2n
Crystal SystemOrthorhombic

Lattice Parameters

a13.132 Å b14.798 Å c6.942 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-645.07495 eV -5.75960 eV -0.69398 eV 2.78870 eV 12.00000 eV 0.26813 eV